2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide

C10H15N3O5 — CID 90962872

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide
SMILESNC(=O)C(CC(=O)NCCO)n1c(O)ccc1O
InChIInChI=1S/C10H15N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h1-2,6,14,16-17H,3-5H2,(H2,11,18)(H,12,15)
InChIKeySYULADUQSAYGIX-UHFFFAOYSA-N
MW257.25 g/mol
LogP-1.58
Rot. Bonds6

About 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide

2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide (PubChem CID 90962872) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide
PubChem CID90962872
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide
SMILESNC(=O)C(CC(=O)NCCO)n1c(O)ccc1O
InChIInChI=1S/C10H15N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h1-2,6,14,16-17H,3-5H2,(H2,11,18)(H,12,15)
InChIKeySYULADUQSAYGIX-UHFFFAOYSA-N
XLogP-1.58
TPSA137.81 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-1.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) (2S)-4-oxoazetidine-2-carboxylate
CID 53687125
N-[2-(2,5-dihydroxypyrrol-1-yl)ethyl]prop-2-enamide
CID 53737679
(2S)-4-(2,5-dihydroxypyrrol-1-yl)-N-(3-oxo-1-sulfanylbutan-2-yl)-2-sulfanylbutanamide
CID 53841332
2-(2,5-Dihydroxypyrrol-1-yl)acetamide
CID 53860573
2-(2,5-Dihydroxypyrrol-1-yl)-3-(2,5-dioxopyrrol-1-yl)propanoic acid
CID 53967311
3-(2,5-Dihydroxypyrrol-1-yl)pyrrolidin-2-one
CID 54111603
N'-[(2,5-dihydroxy-1-methylpyrrol-3-yl)methyl]-N,N-bis(2-hydroxyethyl)-2-methylbutanediamide
CID 54131664
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-oxoazetidin-3-yl)acetamide
CID 54252739
2-(2,5-Dihydroxypyrrol-1-yl)butanediamide
CID 54360136
2-(2,5-Dihydroxypyrrol-1-yl)-4-(2,5-dioxopyrrol-1-yl)butanoic acid
CID 54443954
3-[[2-(2,5-Dihydroxypyrrol-1-yl)acetyl]amino]-2-oxoazetidine-1-sulfonic acid
CID 54538497
2-(2,5-dihydroxypyrrol-1-yl)-N-(2-hydroxyazetidin-3-yl)acetamide
CID 57157782

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide (CID 90962872) is 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide is NC(=O)C(CC(=O)NCCO)n1c(O)ccc1O.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide?
The InChIKey is SYULADUQSAYGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c11-10(18)6(5-7(15)12-3-4-14)13-8(16)1-2-9(13)17/h1-2,6,14,16-17H,3-5H2,(H2,11,18)(H,12,15).
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide?
2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide has a molecular weight of 257.25 g/mol, XLogP of -1.58, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-N'-(2-hydroxyethyl)butanediamide is sourced from PubChem (CID 90962872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).